SCHEMBL930567

SCHEMBL930567

CCCCOC(=O)N1CC2CC1CN2CCC(=O)NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
EPHX1 P07099 3/20 0.38
SIGMAR1 Q99720 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1554899 0.82 EPHX1 (0.44) SMN1; SMN2ALDH1A1GAAEPHX1SIGMAR1
SCHEMBL1554221 0.80 ALDH1A1 (0.48) EPHX2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22346683 0.78 GBA2 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL8435167 0.77 GBA2 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL10872430 0.72 MEN1 (0.66) EPHX2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23989211 0.68 SMN1; SMN2 (0.74) EPHX2SMN1; SMN2ALDH1A1EPHX1
SCHEMBL7494872 0.68 SMN1; SMN2 (0.74) EPHX2SMN1; SMN2ALDH1A1EPHX1
SCHEMBL931682 0.67 SIGMAR1 (0.46) EPHX2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2801497 0.67 EPHX1 (0.67) EPHX2SMN1; SMN2GAAEPHX1
SCHEMBL22055472 0.67 SMN1; SMN2 (0.78) EPHX2SMN1; SMN2MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed